SCHEMBL9505334

SCHEMBL9505334

Cc1ccc2nc(-c3ccc(Cl)c(Cl)c3)c(O)c(C(=O)O)c2c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.77
PDE10A Q9Y233 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10582434 0.87 DHODH (1.00) DHODHPDE10ACYP1A2CYP3A4CYP2C8
SCHEMBL9502837 0.87 DHODH (0.85) DHODHPDE10A
SCHEMBL9505839 0.83 DHODH (0.79) DHODHPDE10A
SCHEMBL10582007 0.78 DHODH (0.77) DHODHPDE10A
SCHEMBL9503665 0.76 DHODH (0.55) DHODHCYP1A2CYP3A4CYP2C8CYP2D6
SCHEMBL9502241 0.76 DHODH (0.82) DHODHPDE10ACYP1A2CYP3A4CYP2C8
SCHEMBL11238594 0.75 DHODH (0.62) DHODHPDE10A
SCHEMBL7686140 0.74 DHODH (0.79) DHODHPDE10ACYP2D6CYP2C19
SCHEMBL19351185 0.74 DHODH (0.71) DHODHPDE10ACYP2C9
SCHEMBL10583075 0.73 DHODH (1.00) DHODHPDE10ACYP1A2CYP3A4CYP2C8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP disclosed
US-4847381-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed